2-(3-cyano-4-fluoranyl-phenyl)ethanoic acid

Systemtic Name: 2-(3-cyano-4-fluoranyl-phenyl)ethanoic acid Openeye Name: 2-(3-cyano-4-fluoro-phenyl)acetic acid CAS Name: 2-(3-cyano-4-fluorophenyl)acetic acid IUPAC Name: 2-(3-cyano-4-fluorophenyl)acetic acid Traditional Name: 2-(3-cyano-4-fluoro-phenyl)acetic acid Formula: C9H6FNO2 MolecularWeight: 179.147843

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1CC(=O)O)C#N)F

Isomeric SMILES

C1=CC(=C(C=C1CC(=O)O)C#N)F

InChI

InChI=1S/C9H6FNO2/c10-8-2-1-6(4-9(12)13)3-7(8)5-11/h1-3H,4H2,(H,12,13)